Information card for entry 7001371

Structure parameters

• Formula: C26 H23 Br Fe
• Calculated formula: C26 H23 Br Fe
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[c]82/C(=C(/c1ccc(Br)cc1)c1ccccc1)CC
• Title of publication: Role of aromatic substituents on the antiproliferative effects of diphenyl ferrocenyl butene compounds
• Authors of publication: Zekri, Ouardia; Hillard, Elizabeth A.; Top, Siden; Vessières, Anne; Pigeon, Pascal; Plamont, Marie-Aude; Huché, Michel; Boutamine, Sultana; McGlinchey, Michael J.; Müller-Bunz, Helge; Jaouen, Gérard
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 22
• Pages of publication: 4318 - 4326
• a: 9.4545 ± 0.0013 Å
• b: 11.0859 ± 0.0015 Å
• c: 20.771 ± 0.003 Å
• α: 90°
• β: 98.579 ± 0.003°
• γ: 90°
• Cell volume: 2152.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No